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PLUMBABIC-ACID
SpectraBase Compound ID 4qJhZQhLSYL
InChI InChI=1S/C11H12O5/c1-6(5-9(13)14)10(15)7-3-2-4-8(12)11(7)16/h2-4,6,12,16H,5H2,1H3,(H,13,14)
InChIKey SGNALGPYOOQHOT-UHFFFAOYSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Fbmsb6Njq6
Name 3-Methyl-4-(2,3-dihydroxyphenyl)-4-oxo-butanoic acid
CAS Registry Number 75640-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-6(5-9(13)14)10(15)7-3-2-4-8(12)11(7)16/h2-4,6,12,16H,5H2,1H3,(H,13,14)
InChIKey SGNALGPYOOQHOT-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES OC(CC(C(c1c(c(ccc1)O)O)=O)C)=O
SPLASH splash10-0adr-0930000000-f1c599cee751b71b2378
Source of Spectrum G4-60-1033-3
Synonyms 4-(2,3-dihydroxyphenyl)-3-methyl-4-oxo-butanoic acid 4-(2,3-dihydroxyphenyl)-4-keto-3-methyl-butyric acid 4-[2,3-bis(oxidanyl)phenyl]-3-methyl-4-oxidanylidene-butanoic acid
Wiley ID 1606888